CID 13425514

2-(4-fluorophenyl)-4,5-dihydro-3-methylthiazolium iodide

Structural Information

Molecular Formula
C10H11FNS
SMILES
C[N+]1=C(SCC1)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H11FNS/c1-12-6-7-13-10(12)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3/q+1
InChIKey
LONSEAMAXSWSJF-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-3-methyl-4,5-dihydro-1,3-thiazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.05962 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.06690 137.8
[M+Na]+ 219.04884 147.6
[M-H]- 195.05234 143.1
[M+NH4]+ 214.09344 158.5
[M+K]+ 235.02278 138.6
[M+H-H2O]+ 179.05688 133.4
[M+HCOO]- 241.05782 155.4
[M+CH3COO]- 255.07347 175.3
[M+Na-2H]- 217.03429 141.5
[M]+ 196.05907 136.2
[M]- 196.06017 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.